1-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]pyrrolidin-2-one

C19H20F3N3O2S — CID 46880765

IUPAC1-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]pyrrolidin-2-one
SMILESO=C1CCCN1c1cnc(N2CCC(Oc3ccccc3C(F)(F)F)CC2)s1
InChIInChI=1S/C19H20F3N3O2S/c20-19(21,22)14-4-1-2-5-15(14)27-13-7-10-24(11-8-13)18-23-12-17(28-18)25-9-3-6-16(25)26/h1-2,4-5,12-13H,3,6-11H2
InChIKeyZICOCMKZEGRURQ-UHFFFAOYSA-N
MW411.45 g/mol
LogP4.34
Rot. Bonds4

About 1-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]pyrrolidin-2-one

1-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]pyrrolidin-2-one (PubChem CID 46880765) has the molecular formula C19H20F3N3O2S and a molecular weight of 411.45 g/mol. Its IUPAC name is 1-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]pyrrolidin-2-one
PubChem CID46880765
Molecular FormulaC19H20F3N3O2S
Molecular Weight411.45 g/mol
Exact Mass411.12
IUPAC Name1-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]pyrrolidin-2-one
SMILESO=C1CCCN1c1cnc(N2CCC(Oc3ccccc3C(F)(F)F)CC2)s1
InChIInChI=1S/C19H20F3N3O2S/c20-19(21,22)14-4-1-2-5-15(14)27-13-7-10-24(11-8-13)18-23-12-17(28-18)25-9-3-6-16(25)26/h1-2,4-5,12-13H,3,6-11H2
InChIKeyZICOCMKZEGRURQ-UHFFFAOYSA-N
XLogP4.34
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.45
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]pyrrolidin-2-one (CID 46880765) is 1-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]pyrrolidin-2-one is O=C1CCCN1c1cnc(N2CCC(Oc3ccccc3C(F)(F)F)CC2)s1.
What is the InChIKey of 1-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]pyrrolidin-2-one?
The InChIKey is ZICOCMKZEGRURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O2S/c20-19(21,22)14-4-1-2-5-15(14)27-13-7-10-24(11-8-13)18-23-12-17(28-18)25-9-3-6-16(25)26/h1-2,4-5,12-13H,3,6-11H2.
What are the key properties of 1-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]pyrrolidin-2-one?
1-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]pyrrolidin-2-one has a molecular weight of 411.45 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]pyrrolidin-2-one is sourced from PubChem (CID 46880765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).